SQLite format 3@ .  ? ^ B 8Ed\%/sindexnumber_indexnumber_key_valuesCREATE INDEX number_index ON number_key_values(key)T!+kindextext_indextext_key_valuesCREATE INDEX text_index ON text_key_values(key)<Sindexkey_indexkeysCREATE INDEX key_index ON keys(key)H ']indexspecies_indexspeciesCREATE INDEX species_index ON species(Z)W -uindexcalculator_indexsystems CREATE INDEX calculator_index ON systems(calculator)Q )mindexusername_indexsystems CREATE INDEX username_index ON systems(username)H #aindexctime_indexsystems CREATE INDEX ctime_index ON systems(ctime)T +qindexunique_id_indexsystems CREATE INDEX unique_id_index ON systems(unique_id)[##tableinformationinformation CREATE TABLE information ( name TEXT, value TEXT)*//tablenumber_key_valuesnumber_key_valuesCREATE TABLE number_key_values ( key TEXT, value REAL, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems cc(M|,{,lg 5c7e831aa54b8c4e364950918f7d62c9@7~@9.uhecc /////////////////////////////////////////////HȰw@Z/r]@@+@wW@W}W@鷯&@QQw@MT@1 { '@HȰw@ŏ1w-!?'f'@hnU@9W@Nz'@}\*ƙ!@MT@1 { '@֨ht$@`YiR z@XQi'@~~$@W}W@鷯&@HȰw@iUM5@4'@$@`YiR z@XQi'@{?? cZB."@HȰw@R\U @ƿϸp "@ۿҤ@t@?x>"@*Wx@? cZB."@ ҌEy@,C" @G."@LTo lU@u@ϠB"@hnU@!uq?%e;"@Fj!@,C" @G."@L$@t@?x>"@HȰw@*?k@nS@dp@x&1@Kw@/$@~R@ё\Cz@NP?9d@hnU@7@i5$@ yǙ!@/$@~R@c]K!@NP?9d@ vÆ$@dp@x&1@HȰw'@Ӈ.o@J8@( @ꭁR@{>@HȰw@ R@{>@HȰw@{>@hnU@ꭁR@{>@g!@ R@{>@HȰw@{>@(rw?ꭁR@{>@HȰw@ R@{>@{>@(rw? W?*-9?HȰw@ W @*-9?D!T@g ͵@*-9?( @ W?*-9?+ٱw@ W @*-9?LTo lU@g ͵@*-9?hnU@ W?*-9?g!@ W @*-9?F%u$@g ͵@*-9?g!@g@h|@;@@[{"name": "FixAtoms", "kwargs": {"indices": [28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45]}}]vasp{}]eeT|]/s`L1%b?oU{V0?NwxX|[T7?h2X?anro? ^)P?HPsBr&"P줾,|?X|[T7h2X?anro? a*VRW\ph?U?{V0?Nwxu6YdWZF=e? a*V?RW\ph?*g\8@??̔B? ;V?PۆQ0?ERG.?]@"I8ӅXQ?*g\8@?̔B? ;V?a2U0*#d!::K8kD`?fʉvUฌj?~tgy^?a2U0*#?d!::K8RG.]@"I8ӅXQ?SQGt?]N I`!VabZQf6YM?r#DVG仔d\ti`?&z